当前位置：
X-MOL 学术
›
J. Chem. Eng. Data
›
论文详情
Our official English website, www.x-mol.net, welcomes your
feedback! (Note: you will need to create a separate account there.)
Solubility Determination and Correlation of Gatifloxacin, Enrofloxacin, and Ciprofloxacin in Supercritical CO2
Journal of Chemical & Engineering Data ( IF 2.0 ) Pub Date : 2017-11-17 00:00:00 , DOI: 10.1021/acs.jced.7b00601 Ke Shi 1 , Liefeng Feng 2 , Liangnian He 3 , Hongru Li 1
Journal of Chemical & Engineering Data ( IF 2.0 ) Pub Date : 2017-11-17 00:00:00 , DOI: 10.1021/acs.jced.7b00601 Ke Shi 1 , Liefeng Feng 2 , Liangnian He 3 , Hongru Li 1
Affiliation
|
The solubilities of gatifloxacin, enrofloxacin, ciprofloxacin in SC–CO2 were determined by the dynamic method under pressures of 12–36 MPa and temperature of 313, 323, and 333 K. The consistency of the resulting solubility data was verified by the Mendez-Santiago and Teja model, Chrastil model, Bartle model, and K-J model and these models give comparable AARDs (between 6.70% and 13.51%). The compressed gas model and modified expanded liquid model were also used to correlate the resulting solubilities of the three fluoroquinolone drugs. By introducing the reference solubility and calculating the fugacity coefficient of the solute using the Carnahan–Starling-VDW hard sphere equation of state (CS-VDW EoS), the compressed gas model gives the AARDs between 0.86% and 23.65%. The intrinsic proximity of the model parameters in this model is also confirmed for the structurally similar fluoroquinolone drugs. This intrinsic proximity can be used in mutual solubility prediction between the fluoroquinolone drugs once the reference solubilities were known. The modified expanded liquid model gives the AARDs between 10.88% and 16.65% in solubility correlation. However, the predictive capability of the modified expanded liquid model based on the group contribution method needs to be improved further.
中文翻译：
加替沙星，恩诺沙星和环丙沙星在超临界CO 2中的溶解度测定及相关性
加替沙星，恩诺沙星，环丙沙星在SC–CO 2中的溶解度通过动态方法在12–36 MPa的压力和313、323和333 K的温度下确定。通过Mendez-Santiago和Teja模型，Chrastil模型，Bartle模型和KJ验证了所得溶解度数据的一致性。这些模型给出了可比的AARD（介于6.70％和13.51％之间）。压缩气体模型和改进的膨胀液体模型也用于关联三种氟喹诺酮药物的溶解度。通过引入参考溶解度并使用Carnahan–Starling-VDW硬球状态方程（CS-VDW EoS）计算溶质的逸度系数，压缩气体模型得出的AARDs在0.86％和23.65％之间。对于结构相似的氟喹诺酮类药物，也证实了该模型中模型参数的内在接近性。一旦已知参考溶解度，该内在邻近度可用于预测氟喹诺酮药物之间的互溶性。修改后的扩展液体模型给出了AARDs在10.88％到16.65％之间的溶解度相关性。但是，基于基团贡献法的改进扩展液体模型的预测能力有待进一步提高。
更新日期：2017-11-19
中文翻译：
加替沙星，恩诺沙星和环丙沙星在超临界CO 2中的溶解度测定及相关性
加替沙星，恩诺沙星，环丙沙星在SC–CO 2中的溶解度通过动态方法在12–36 MPa的压力和313、323和333 K的温度下确定。通过Mendez-Santiago和Teja模型，Chrastil模型，Bartle模型和KJ验证了所得溶解度数据的一致性。这些模型给出了可比的AARD（介于6.70％和13.51％之间）。压缩气体模型和改进的膨胀液体模型也用于关联三种氟喹诺酮药物的溶解度。通过引入参考溶解度并使用Carnahan–Starling-VDW硬球状态方程（CS-VDW EoS）计算溶质的逸度系数，压缩气体模型得出的AARDs在0.86％和23.65％之间。对于结构相似的氟喹诺酮类药物，也证实了该模型中模型参数的内在接近性。一旦已知参考溶解度，该内在邻近度可用于预测氟喹诺酮药物之间的互溶性。修改后的扩展液体模型给出了AARDs在10.88％到16.65％之间的溶解度相关性。但是，基于基团贡献法的改进扩展液体模型的预测能力有待进一步提高。
京公网安备 11010802027423号